N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide

C9H13N3O2 — CID 13274971

IUPACN-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O2/c1-3-6-12(7(2)13)8-4-5-9(14)11-10-8/h4-5H,3,6H2,1-2H3,(H,11,14)
InChIKeyYWGPJWHWUXGJMI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds3

About N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide

N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide (PubChem CID 13274971) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide
PubChem CID13274971
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O2/c1-3-6-12(7(2)13)8-4-5-9(14)11-10-8/h4-5H,3,6H2,1-2H3,(H,11,14)
InChIKeyYWGPJWHWUXGJMI-UHFFFAOYSA-N
XLogP0.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide (CID 13274971) is N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide is CCCN(C(C)=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide?
The InChIKey is YWGPJWHWUXGJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-6-12(7(2)13)8-4-5-9(14)11-10-8/h4-5H,3,6H2,1-2H3,(H,11,14).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide?
N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide has a molecular weight of 195.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)-N-propylacetamide is sourced from PubChem (CID 13274971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).